Non-Linear Optical Properties of Disperse Blue 354 and Disperse Blue183 by DFT and Z-Scan Technique

Abstract

(Z)-2-(2-(4-(Dihexylamino)-2-methylbenzylidene)-1,1-dioxidobenzo[b]thiophen-3(2H)ylidene)malononitrile (C.I.Disperse Blue 354) and (E)-N-(2-((2-bromo-6-cyano-4-nitrophenyl)diazenyl)-5-(diethylamino)phenyl)propionamide (C.I.Disperse Blue 183) are investigated for nonlinear optical (NLO) properties using Density Functional Theory (DFT) and Z-scan technique. The Z-scan results suggest that both the dyes possess considerably large NLO properties. C.I.Disperse Blue 183 showed major mean first hyperpolarizability (β 0) values. B3LYP/6311++G(d,p) performs better compared to other functionals for computing NLO properties of the dyes. Solvent environment contribute an influential role for NLO properties of the dyes as NLO characteristics of dyes increases from non-polar to polar solvents.